| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: [(3S,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-morpholino-methanone [(3S,5R)-4-(2-dimethylaminoethyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.67 | 3.84 | -47.05 | 1 | 6 | 1 | 40 | 299.439 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 1.41 | -8.35 | 0 | 6 | 0 | 39 | 298.431 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 5.86 | -116.33 | 2 | 6 | 2 | 42 | 300.447 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
